@MOLECULE 6-hydroxy-3,3,12-trimethyl-9-nitro-3,12-dihydro-7h-pyrano[2,3-c]acridin-7-one 42 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.3770 0.5402 0.2311 O.3 1 UNL1 -0.3375 2 O -0.9023 3.5474 -0.1285 O.3 1 UNL1 -0.4486 3 O 1.5228 2.6603 -0.2468 O.2 1 UNL1 -0.5333 4 O 6.3979 -1.2550 0.2546 O.2 1 UNL1 -0.4176 5 O 6.0676 0.8684 0.3745 O.2 1 UNL1 -0.3954 6 N 0.1314 -1.1598 -0.3007 N.ar 1 UNL1 -0.3547 7 N 5.6660 -0.2763 0.2489 N.pl3 1 UNL1 0.6442 8 C -0.7881 -0.1221 -0.0894 C.ar 1 UNL1 0.3730 9 C -4.9498 -0.7937 0.1366 C.3 1 UNL1 0.3203 10 C -2.1460 -0.3864 0.1638 C.ar 1 UNL1 -0.3641 11 C -0.3218 1.2131 -0.1229 C.ar 1 UNL1 -0.4782 12 C -3.0561 0.7008 0.1225 C.ar 1 UNL1 0.4201 13 C 1.4996 -0.9425 -0.1981 C.ar 1 UNL1 0.3037 14 C -4.0184 -1.8418 0.6490 C.2 1 UNL1 -0.2833 15 C -2.6929 -1.6431 0.6281 C.2 1 UNL1 -0.0648 16 C 2.0065 0.3719 -0.1032 C.ar 1 UNL1 -0.2825 17 C 1.0917 1.5153 -0.1733 C.ar 1 UNL1 0.5432 18 C -1.2712 2.2714 -0.0751 C.ar 1 UNL1 0.4816 19 C -2.6408 2.0280 0.0105 C.ar 1 UNL1 -0.4498 20 C -5.2674 -1.0074 -1.3433 C.3 1 UNL1 -0.4919 21 C -6.2041 -0.6562 0.9975 C.3 1 UNL1 -0.4791 22 C -0.3253 -2.4264 -0.8899 C.3 1 UNL1 -0.2382 23 C 2.4039 -2.0344 -0.1616 C.ar 1 UNL1 -0.3021 24 C 3.3761 0.5968 0.0379 C.ar 1 UNL1 0.0611 25 C 4.2437 -0.4912 0.0866 C.ar 1 UNL1 -0.1856 26 C 3.7562 -1.8071 -0.0169 C.ar 1 UNL1 0.0089 27 H -4.4788 -2.7436 1.0337 H 1 UNL1 0.1627 28 H -1.9996 -2.3795 1.0334 H 1 UNL1 0.1519 29 H -3.3564 2.8455 0.0032 H 1 UNL1 0.2092 30 H -4.3502 -1.0313 -1.9452 H 1 UNL1 0.1616 31 H -5.7985 -1.9510 -1.5049 H 1 UNL1 0.1576 32 H -5.8922 -0.1951 -1.7361 H 1 UNL1 0.1664 33 H -6.8367 -1.5465 0.9247 H 1 UNL1 0.1578 34 H -5.9445 -0.5057 2.0542 H 1 UNL1 0.1668 35 H -6.8042 0.2111 0.6893 H 1 UNL1 0.1682 36 H 0.3465 -2.7411 -1.7115 H 1 UNL1 0.1597 37 H -1.3339 -2.3180 -1.3357 H 1 UNL1 0.1756 38 H -0.3591 -3.2281 -0.1309 H 1 UNL1 0.1555 39 H 2.0362 -3.0558 -0.2195 H 1 UNL1 0.1732 40 H 3.7547 1.6316 0.1056 H 1 UNL1 0.2112 41 H 4.4619 -2.6472 0.0242 H 1 UNL1 0.1851 42 H 0.1215 3.6382 -0.1973 H 1 UNL1 0.3882 @BOND 1 30 20 1 2 32 20 1 3 36 22 1 4 31 20 1 5 20 9 1 6 37 22 1 7 22 6 1 8 22 38 1 9 6 13 ar 10 6 8 ar 11 3 17 2 12 39 23 1 13 13 23 ar 14 13 16 ar 15 42 2 1 16 17 11 ar 17 17 16 ar 18 23 26 ar 19 2 18 1 20 11 8 ar 21 11 18 ar 22 16 24 ar 23 8 10 ar 24 18 19 ar 25 26 41 1 26 26 25 ar 27 29 19 1 28 19 12 ar 29 24 25 ar 30 24 40 1 31 25 7 1 32 12 10 ar 33 12 1 1 34 9 1 1 35 9 14 1 36 9 21 1 37 10 15 1 38 7 4 2 39 7 5 2 40 15 14 2 41 15 28 1 42 14 27 1 43 35 21 1 44 33 21 1 45 21 34 1